N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-2-3-5-10-19-24-25-22(29-19)23-21(28)18-13-15-26(16-14-18)20(27)12-11-17-8-6-4-7-9-17/h4,6-9,11-12,18H,2-3,5,10,13-16H2,1H3,(H,23,25,28)/b12-11+